SCHEMBL27733689

SCHEMBL27733689

CC(C)C(=O)Oc1cn(S(=O)(=O)c2ccccc2)c2ccc(C(=O)c3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
PLK1 P53350 1/20 0.41
HTR6 P50406 9/20 0.41
TNF P01375 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
TNFSF11 O14788 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
PTGS1 P23219 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27713312 0.90 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2LMNAPLK1
SCHEMBL27733781 0.86 KLK7 (0.47) MEN1KMT2ASMN1; SMN2LMNAPLK1
SCHEMBL27713337 0.85 HTR6 (0.48) MEN1KMT2ASMN1; SMN2LMNAPLK1
SCHEMBL27713443 0.85 AKR1C3 (0.48) MEN1KMT2ASMN1; SMN2LMNAPLK1
SCHEMBL27713331 0.85 HTR6 (0.48) MEN1KMT2ASMN1; SMN2LMNAPLK1
SCHEMBL28770869 0.84 LMNA (0.56) MEN1KMT2ASMN1; SMN2LMNAPLK1
SCHEMBL27713327 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAPLK1
SCHEMBL27733870 0.81 PPARG (0.52) MEN1KMT2ASMN1; SMN2LMNAHTR6
SCHEMBL27733649 0.80 HTR6 (0.42) MEN1KMT2ASMN1; SMN2LMNAPLK1
SCHEMBL27713295 0.78 KMT2A (0.40) MEN1KMT2ASMN1; SMN2LMNAPLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 CN disclosed